Information card for entry 4334001

Structure parameters

• Formula: C16 H3 N Ni O15 Ru5
• Calculated formula: C16 H3 N Ni O15 Ru5
• SMILES: [Ru]1234([Ru]567([Ru]89%101([Ru]1%11%122([Ru]235([Ni]681([NH3])([C]479%112)(C%10=O)C%12=O)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization
• Authors of publication: Sumit Saha; Lei Zhu; Burjor Captain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2526 - 2532
• a: 9.4325 ± 0.0004 Å
• b: 17.0113 ± 0.0007 Å
• c: 17.5226 ± 0.0007 Å
• α: 62.614 ± 0.001°
• β: 89.195 ± 0.001°
• γ: 89.35 ± 0.001°
• Cell volume: 2496.27 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No